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tianya95
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*data for ICSD #30995 Coll Code 30995 Rec Date 1987/03/16 Mod Date 2009/02/01 Chem Name Dibismuth Dioxide Catena-silicate - Ht Structured Bi2 O2 (Si O3) Sum Bi2 O5 Si1 ANX AB2X5 D(calc) 7.92 Title Crystal structure of bismuth silicate Bi2 Si O5 Author(s) Ketterer, J.;Kraemer, V. Reference Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) (1986), 1986, 13-18 Phase Transition (1992), 38, 127-220 Unit Cell 15.173(2) 5.4729(7) 5.3132(7) 90. 90. 90. Vol 441.21 Z 4 Space Group C m c 21 SG Number 36 Cryst Sys orthorhombic Pearson oS32 Wyckoff b3 a2 R Value .052 Red Cell C 5.313 5.472 8.064 109.834 90 89.999 220.605 Trans Red 0.000 0.000 1.000 / 0.000 -1.000 0.000 / 0.500 0.500 0.000 Comments Stable above 610 K (2nd ref., Tomaszewski) AE: Bi: O6; Si: O4; O1: Si2; O2: Bi2 Si; O3: Bi4 The structure has been assigned a PDF number (calculated powder diffraction data): 01-075-1483 The structure has been assigned a PDF number (experimental powder diffraction data): 36-287 Structure type prototype : Bi2O2SiO3 Structure type : Bi2O2SiO3 X-ray diffraction from single crystal Atom # OX SITE x y z SOF H ITF(U) Bi 1 +3 8 b 0.1648(1) 0.2174(1) 0.25 1. 0 0 Si 1 +4 4 a 0 0.675(2) 0.200(2) 1. 0 0 O 1 -2 4 a 0 0.522(8) 0.478(9) 1. 0 0.017(7) O 2 -2 8 b 0.092(2) 0.171(4) 0.689(4) 1. 0 0.018(5) O 3 -2 8 b 0.251(1) 0.491(5) 0.473(4) 1. 0 0.009(3) Lbl Type U11 U22 U33 U12 U13 U23 Bi1 Bi3+ 0.0111(3) 0.0107(3) 0.0102(4) 0.0029(2) 0.006(1) -0.002(2) Si1 Si4+ 0.007(5) 0.012(4) 0.016(8) 0 0 -0.008(3) *end for ICSD #30995 |
2Â¥2017-04-06 12:33:58
tianya95
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3Â¥2017-04-06 12:35:22
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